Compound Identification
SMILES
CCOC(=O)CC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@H](OC3CCCCO3)[C@]12C)OC1CCCCO1)OC1CCCCO1
InChIKey
InChIKey=DTWSIAPYWHEJPY-NUHUFJGCSA-N
Formula
C43H70O9
Mass
731.024
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Bile acids, alcohols and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Bile acids, alcohols and derivatives
Alternative Parents
Oxosteroids Beta-keto acids and derivatives Oxanes 1,3-dicarbonyl compounds Ketones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
24-oxosteroid - Bile acid, alcohol, or derivatives - Oxosteroid - Beta-keto acid - Keto acid - 1,3-dicarbonyl compound - Oxane - Carboxylic acid ester - Ketone - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Aldehyde - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as bile acids, alcohols and derivatives. These are organic compounds containing an alcohol or acid derivative of cholic acid.
External Descriptors
Not available